Electron Transfer In The Photosynthesis System And The Simulation Of Two-dimensional Electronic Spectroscopy Of The Dimer System

Nowadays, with the development and utilization of the energy, solar energy has become themain available energy. However, people have no in-depth understanding in the mechanism of thephotosynthesis system, the utilization ratio doesn’t achieve people’s desired requirements. In thispaper, we use the Langevin equation and the hierarchical equation of motion to simulate anddiscuss the electron transfer and the energy transfer in photosynthesis, respectively.The Langevin stochastic differential equation and the hierarchical equation of motion are thephysical simulation methods to handling the dissipative system. Using the Langevin equation toexplore the rule of electron transfer in photosynthesis, which avoids the complexity of themathematics. It is a relatively simple and accurate simulation method. And the hierarchicalequation of motion is a non-Markov and non-perturbative dynamics method. In studying of theprocess of the energy transfer in the system reflects its accuracy. This thesis includes four chapters.The first part, we summarize the process of the photosynthesis, which provide a backgroundfor the study in the future. And the part describe the methodology we used, namely Langevinequation and the hierarchical equation of motion. In this chapter, we derive the relevant formulas indetail and give the corresponding explanation. Which provides a detailed theoretical knowledge forthe next simulation and discussion.The second part, we focus on exploring the factors of affecting the photosynthetic electrontransfer rate by using Langevin equation. And we discuss the relationship between the electrontransfer rate and the energy of medium reorganization, and the free energy, and the temperature,respectively.The third part, we introduce mainly the theory of calculating two-dimensional electronicspectroscopy. By the dimer system as the research object, we simulate its linear absorption spectraand two-dimensional spectroscopy by using the hierarchical equation of motion. And later we havea discussion about them.Finally, our theoretical studies are summarized, and the relevant applications of the futurewere expected. In a word, the theoretical simulation methods of studying the electron transfer and energytransfer are given in this paper. It provides a theoretical basics for the future relevant experiments.For the continued researching and utilization of solar energy has a certain significance.